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Fixed a bad error on stresses check
1 parent 59ab046 commit f724052

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Modules/Relax.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -628,7 +628,7 @@ def vc_relax(self, target_press = 0, static_bulk_modulus = 100,
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stress_err *= sscha.SchaMinimizer.__RyBohr3_to_evA3__
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# Check if the stress tensor is actually loaded in the ensemble
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if np.max(np.abs(self.stresses)) < 1e-10:
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if np.max(np.abs(self.minim.ensemble.stresses)) < 1e-10:
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# Probably there is an error in the submission of the stress tensor calculation
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raise ValueError("Error, the stress tensor is not loaded in the ensemble. Check the stress tensor calculation.")
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